SCHEMBL945098

SCHEMBL945098

O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.67
ALDH1A1 P00352 4/20 0.66
LMNA P02545 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
USP2 O75604 2/20 0.63
HTT P42858 2/20 0.63
CHRM2 P08172 1/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKLR P30613 1/20 0.55
MAPK1 P28482 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10064245 0.95 PKM (0.66) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL10064238 0.84 PKM (0.66) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL9951626 0.84 PKM (0.73) PKMALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9950690 0.84 PKM (0.83) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL12943745 0.83 PKM (0.71) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL10080586 0.82 PKM (0.59) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL10064236 0.81 PKM (0.59) PKMALDH1A1LMNASMN1; SMN2GAA
SCHEMBL752279 0.81 GAA (0.85) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL9950741 0.81 PKM (0.78) PKMALDH1A1LMNASMN1; SMN2USP2
SCHEMBL9951161 0.80 PKM (0.71) PKMALDH1A1LMNASMN1; SMN2USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885ALDH1A1 1240/4885LMNA 1420/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.